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5-CYANOURACIL

CAS No.:
5428-41-1
Catalog Number:
AG00DBCI
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DBCI
Chemical Name:
5-CYANOURACIL
CAS Number:
5428-41-1
MDL Number:
MFCD00051958
IUPAC Name:
2,4-dioxo-1,3-diazinane-5-carbonitrile
InChI:
InChI=1S/C5H5N3O2/c6-1-3-2-7-5(10)8-4(3)9/h3H,2H2,(H2,7,8,9,10)
InChI Key:
QAQOQOILIGGUQK-UHFFFAOYSA-N
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.038g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
139.114g/mol
Monoisotopic Mass:
139.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties